UCSF

ZINC42472549

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.95 5.97 -48.37 3 3 1 44 234.367 3
Hi High (pH 8-9.5) 1.95 5.58 -4.42 2 3 0 42 233.359 3
Hi High (pH 8-9.5) 1.95 6.27 -25.99 3 3 1 43 234.367 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )